6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C18H28N2 — CID 79442419

IUPAC6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCc1cccc(C2CNCCC23CCN(C(C)C)C3)c1
InChIInChI=1S/C18H28N2/c1-14(2)20-10-8-18(13-20)7-9-19-12-17(18)16-6-4-5-15(3)11-16/h4-6,11,14,17,19H,7-10,12-13H2,1-3H3
InChIKeyNTXHORIWJSXMHA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.17
Rot. Bonds2

About 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 79442419) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID79442419
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCc1cccc(C2CNCCC23CCN(C(C)C)C3)c1
InChIInChI=1S/C18H28N2/c1-14(2)20-10-8-18(13-20)7-9-19-12-17(18)16-6-4-5-15(3)11-16/h4-6,11,14,17,19H,7-10,12-13H2,1-3H3
InChIKeyNTXHORIWJSXMHA-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-11-(3-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441909
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane
CID 79441983
4,4-difluoro-3-(3-methylphenyl)piperidine
CID 84723273
4-methyl-11-(3-methylphenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79441377
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
10-ethyl-5-(3-methylphenyl)-3-azaspiro[5.5]undecane
CID 79442268
6-(3-chlorophenyl)-2-cyclopropyl-2,8-diazaspiro[4.5]decane
CID 79430003
4-methyl-6-(3-methylphenyl)-2-thia-8-azaspiro[4.5]decane
CID 114285264
3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441383
5-(3-bromophenyl)-9-methyl-3,9-diazaspiro[5.6]dodecane
CID 79433528
5-(3-bromophenyl)-9,9-dimethyl-3-azaspiro[5.5]undecane
CID 79433285

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 79442419) is 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is Cc1cccc(C2CNCCC23CCN(C(C)C)C3)c1.
What is the InChIKey of 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is NTXHORIWJSXMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)20-10-8-18(13-20)7-9-19-12-17(18)16-6-4-5-15(3)11-16/h4-6,11,14,17,19H,7-10,12-13H2,1-3H3.
What are the key properties of 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 272.44 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 79442419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).